SpectraBase Spectrum ID |
JF478NgV4m8 |
Name |
Rimonabant |
CAS Registry Number |
168273-06-1 |
Classification |
Pharmaceutical drug, anorectic |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
462.078094411 u |
Formula |
C22H21Cl3N4O |
InChI |
InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) |
InChIKey |
JZCPYUJPEARBJL-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
463.796 g/mol |
Nominal Mass |
462 u |
Quality |
899 |
Retention Index |
3613 |
SMILES |
C=1(N(N=C(C1C)C(NN1CCCCC1)=O)C1=C(C=C(C=C1)Cl)Cl)C1=CC=C(C=C1)Cl |
SPLASH |
splash10-03yi-2239000000-3f4f1ab92cf0fc941fa8 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
SR 141716A
SR-141716
SR-141716A
SR141716
SR141716A
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-pyrazole-3-carboxamide |
Technique |
GC/MS |
Wiley ID |
DD2024_015002 |